1-(2,5-dimethylphenyl)-3-[[5-(4-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[[5-(4-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene]amino]thiourea Openeye Name: 1-[[1-allyl-5-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-indolin-3-ylidene]amino]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[[5-[(4-methyl-1-piperidinyl)sulfonyl]-2-oxo-1-prop-2-enyl-3-indolylidene]amino]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[[5-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-prop-2-enylindol-3-ylidene]amino]thiourea Traditional Name: 1-[[1-allyl-2-keto-5-(4-methylpiperidino)sulfonyl-indolin-3-ylidene]amino]-3-(2,5-dimethylphenyl)thiourea Formula: C26H31N5O3S2 MolecularWeight: 525.68604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=NNC(=S)NC4=C(C=CC(=C4)C)C)CC=C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=NNC(=S)NC4=C(C=CC(=C4)C)C)CC=C

InChI

InChI=1S/C26H31N5O3S2/c1-5-12-31-23-9-8-20(36(33,34)30-13-10-17(2)11-14-30)16-21(23)24(25(31)32)28-29-26(35)27-22-15-18(3)6-7-19(22)4/h5-9,15-17H,1,10-14H2,2-4H3,(H2,27,29,35)